Study of the forbidden energy region in solids with diamond structure: Application to Silicon Si

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Forbidden power of silicon with crystal structure of diamond is determined indirectly from the electronic structure: energy bands and the density of States both in the ground state T = 0°K. Using the method of the orbital linear Muffin-Tin (LMTO) together with an effective potential of the solid Sch...

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Detalles Bibliográficos
Autor: Cabrera, César
Formato: artículo
Fecha de Publicación:2018
Institución:Universidad Nacional Mayor de San Marcos
Repositorio:Revistas - Universidad Nacional Mayor de San Marcos
Lenguaje:español
OAI Identifier:oai:ojs.csi.unmsm:article/20232
Enlace del recurso:https://revistasinvestigacion.unmsm.edu.pe/index.php/fisica/article/view/20232
Nivel de acceso:acceso abierto
Materia:LMTO orbitals
energy bands and DOS
crystal lattice of diamond
Orbitales LMTO
bandas de energía y DOS
red cristalina de diamante
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spelling Study of the forbidden energy region in solids with diamond structure: Application to Silicon SiEstudio de la región de energía prohibida en sólidos con estructura de diamante: Aplicación a Silicio SiCabrera, CésarLMTO orbitalsenergy bands and DOScrystal lattice of diamondOrbitales LMTObandas de energía y DOSred cristalina de diamanteForbidden power of silicon with crystal structure of diamond is determined indirectly from the electronic structure: energy bands and the density of States both in the ground state T = 0°K. Using the method of the orbital linear Muffin-Tin (LMTO) together with an effective potential of the solid Schrödinger equation was solved and obtained energy bands and the density of States. The minimum total energy -16.85 Ry per unit cell, occurs for maximum transfer of load to empty sphere on the diagonal of the Crystal network. Associated forbidden energy gap is 0.099 Ry which is equivalent to 1.35 eV, a value close to the experimental gap of 1.17 eV that already exists in the literature.La energía prohibida del silicio con estructura cristalina de diamante se determinó indirectamente a partir de la estructura electrónica: las bandas de energía y la densidad de estados DOS en el estado fundamental T = 0°K. Usando el método de los orbitales lineales Muffin-Tin (LMTO) junto con un potencial efectivo se resolvió la ecuación de Schrödinger del solido y se obtuvo las bandas de energía y la densidad de estados. La energía total mínima de -16.85 Ry por celda unitaria, ocurre para una máxima transferencia de la carga a las esferas vacías en la diagonal de la red cristalina. El gap de energía prohibida asociada es de 0.099 Ry que equivale a 1.35 eV, un valor cercano al gap experimental de 1.17 eV que ya existe en la literatura.Universidad Nacional Mayor de San Marcos2018-12-28info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://revistasinvestigacion.unmsm.edu.pe/index.php/fisica/article/view/2023210.15381/rif.v21i2.20232Revista de Investigación de Física; Vol. 21 No. 2 (2018); 1-6Revista de Investigación de Física; Vol. 21 Núm. 2 (2018); 1-61728-29771605-7724reponame:Revistas - Universidad Nacional Mayor de San Marcosinstname:Universidad Nacional Mayor de San Marcosinstacron:UNMSMspahttps://revistasinvestigacion.unmsm.edu.pe/index.php/fisica/article/view/20232/16579Derechos de autor 2018 César Cabrerahttps://creativecommons.org/licenses/by-nc-sa/4.0info:eu-repo/semantics/openAccessoai:ojs.csi.unmsm:article/202322021-08-16T21:33:27Z
dc.title.none.fl_str_mv Study of the forbidden energy region in solids with diamond structure: Application to Silicon Si
Estudio de la región de energía prohibida en sólidos con estructura de diamante: Aplicación a Silicio Si
title Study of the forbidden energy region in solids with diamond structure: Application to Silicon Si
spellingShingle Study of the forbidden energy region in solids with diamond structure: Application to Silicon Si
Cabrera, César
LMTO orbitals
energy bands and DOS
crystal lattice of diamond
Orbitales LMTO
bandas de energía y DOS
red cristalina de diamante
title_short Study of the forbidden energy region in solids with diamond structure: Application to Silicon Si
title_full Study of the forbidden energy region in solids with diamond structure: Application to Silicon Si
title_fullStr Study of the forbidden energy region in solids with diamond structure: Application to Silicon Si
title_full_unstemmed Study of the forbidden energy region in solids with diamond structure: Application to Silicon Si
title_sort Study of the forbidden energy region in solids with diamond structure: Application to Silicon Si
dc.creator.none.fl_str_mv Cabrera, César
author Cabrera, César
author_facet Cabrera, César
author_role author
dc.subject.none.fl_str_mv LMTO orbitals
energy bands and DOS
crystal lattice of diamond
Orbitales LMTO
bandas de energía y DOS
red cristalina de diamante
topic LMTO orbitals
energy bands and DOS
crystal lattice of diamond
Orbitales LMTO
bandas de energía y DOS
red cristalina de diamante
description Forbidden power of silicon with crystal structure of diamond is determined indirectly from the electronic structure: energy bands and the density of States both in the ground state T = 0°K. Using the method of the orbital linear Muffin-Tin (LMTO) together with an effective potential of the solid Schrödinger equation was solved and obtained energy bands and the density of States. The minimum total energy -16.85 Ry per unit cell, occurs for maximum transfer of load to empty sphere on the diagonal of the Crystal network. Associated forbidden energy gap is 0.099 Ry which is equivalent to 1.35 eV, a value close to the experimental gap of 1.17 eV that already exists in the literature.
publishDate 2018
dc.date.none.fl_str_mv 2018-12-28
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://revistasinvestigacion.unmsm.edu.pe/index.php/fisica/article/view/20232
10.15381/rif.v21i2.20232
url https://revistasinvestigacion.unmsm.edu.pe/index.php/fisica/article/view/20232
identifier_str_mv 10.15381/rif.v21i2.20232
dc.language.none.fl_str_mv spa
language spa
dc.relation.none.fl_str_mv https://revistasinvestigacion.unmsm.edu.pe/index.php/fisica/article/view/20232/16579
dc.rights.none.fl_str_mv Derechos de autor 2018 César Cabrera
https://creativecommons.org/licenses/by-nc-sa/4.0
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Derechos de autor 2018 César Cabrera
https://creativecommons.org/licenses/by-nc-sa/4.0
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Universidad Nacional Mayor de San Marcos
publisher.none.fl_str_mv Universidad Nacional Mayor de San Marcos
dc.source.none.fl_str_mv Revista de Investigación de Física; Vol. 21 No. 2 (2018); 1-6
Revista de Investigación de Física; Vol. 21 Núm. 2 (2018); 1-6
1728-2977
1605-7724
reponame:Revistas - Universidad Nacional Mayor de San Marcos
instname:Universidad Nacional Mayor de San Marcos
instacron:UNMSM
instname_str Universidad Nacional Mayor de San Marcos
instacron_str UNMSM
institution UNMSM
reponame_str Revistas - Universidad Nacional Mayor de San Marcos
collection Revistas - Universidad Nacional Mayor de San Marcos
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 13.78462
Study of the forbidden energy region in solids with diamond structure: Application to Silicon Si
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